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3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-methyl-

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3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-methyl-
SpectraBase Compound ID 7VmpkuaBJc3
InChI InChI=1S/C31H27ClN4O3S/c1-4-20-5-11-23(12-6-20)35-27(37)18-40-31-26(17-33)29(21-7-15-25(39-3)16-8-21)28(19(2)34-31)30(38)36-24-13-9-22(32)10-14-24/h5-16H,4,18H2,1-3H3,(H,35,37)(H,36,38)
InChIKey ASTCLWVSROYXNJ-UHFFFAOYSA-N
Mol Weight 571.1 g/mol
Molecular Formula C31H27ClN4O3S
Exact Mass 570.14924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4oeALLu8Kxe
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-methyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H27ClN4O3S/c1-4-20-5-11-23(12-6-20)35-27(37)18-40-31-26(17-33)29(21-7-15-25(39-3)16-8-21)28(19(2)34-31)30(38)36-24-13-9-22(32)10-14-24/h5-16H,4,18H2,1-3H3,(H,35,37)(H,36,38)
InChIKey ASTCLWVSROYXNJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2243
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11238544